#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2d3o n HIS 3 N 0.00 0.00 1.01 7.33 8.25 -1.26 -4.20 115.22 126.35 2d3o n HIS 3 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 2d3o n HIS 3 Cb 0.00 0.05 -0.06 0.00 1.12 0.00 0.00 29.99 31.10 2d3o n HIS 3 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 2d3o n TYR 4 N -2.17 0.00 -1.48 4.41 4.01 -1.26 -4.36 117.16 116.32 2d3o n TYR 4 Ca 0.00 0.00 -0.25 0.00 -0.16 0.00 0.00 57.90 57.49 2d3o n TYR 4 Cb 0.26 -0.02 0.19 0.00 -0.31 0.00 0.00 39.34 39.46 2d3o n TYR 4 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 2d3o n ASP 5 N -1.05 -0.65 -2.79 7.72 10.43 -1.26 -4.76 116.55 124.19 2d3o n ASP 5 Ca 0.06 -1.28 -0.02 0.00 2.57 0.00 0.00 54.79 56.12 2d3o n ASP 5 Cb 0.37 -0.85 0.00 0.00 1.84 0.00 0.00 41.12 42.48 2d3o n ASP 5 CO 0.00 0.00 0.00 -0.38 -1.07 0.00 0.00 177.20 175.75 2d3o n ILE 6 N -3.89-11.15 -4.00 0.53 5.41 -1.26 -4.78 119.36 100.21 2d3o n ILE 6 Ca 0.14 1.58 -0.13 0.00 1.00 0.00 0.00 62.75 65.33 2d3o n ILE 6 Cb 0.49 -6.70 -0.02 0.00 -0.71 0.00 0.00 39.64 32.70 2d3o n ILE 6 CO 0.00 0.00 0.00 -1.48 0.00 0.00 0.00 176.55 175.07 2d3o s LEU 7 N -1.78 0.75 0.14 1.39 -0.00 -1.26 -4.68 118.68 113.24 2d3o s LEU 7 Ca 0.05 -1.43 0.00 0.00 -0.00 0.00 0.00 54.13 52.75 2d3o s LEU 7 Cb -0.01 1.90 0.00 0.00 -0.00 0.00 0.00 46.19 48.08 2d3o s LEU 7 CO 0.74 -1.45 0.00 1.67 -0.00 0.00 0.00 176.35 177.31 2d3o n GLN 8 N -0.58 0.00 -3.59 1.48 -0.06 -1.17 -1.13 117.38 112.33 2d3o n GLN 8 Ca -0.02 0.00 -0.09 0.00 -2.00 0.00 0.00 57.00 54.89 2d3o n GLN 8 Cb 0.61 0.00 -0.05 0.00 -4.06 0.00 0.00 30.24 26.74 2d3o n GLN 8 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 2d3o s ALA 9 N -1.42 -1.97 1.14 1.69 0.00 -1.26 -4.99 121.76 114.95 2d3o s ALA 9 Ca 0.00 1.66 -0.13 0.00 0.00 0.00 0.00 51.96 53.49 2d3o s ALA 9 Cb 0.00 -0.92 0.20 0.00 0.00 0.00 0.00 23.12 22.40 2d3o s ALA 9 CO 0.00 -0.29 0.76 -0.35 0.00 0.00 0.00 175.76 175.89 2d3o n PRO 10 N 0.80 -2.20 -4.60 0.00 -0.04 -1.26 -2.34 135.00 125.36 2d3o n PRO 10 Ca -0.09 -1.21 -0.23 0.00 -0.04 0.00 0.00 63.50 61.94 2d3o n PRO 10 Cb 0.58 -1.07 -0.14 0.00 -0.04 0.00 0.00 33.50 32.82 2d3o n PRO 10 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2d3o s VAL 11 N -2.44 1.25 -0.31 0.52 1.01 -1.26 -4.78 120.40 114.39 2d3o s VAL 11 Ca 0.48 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.68 2d3o s VAL 11 Cb -0.04 -1.07 0.19 0.00 0.00 0.00 0.00 36.38 35.45 2d3o s VAL 11 CO 0.37 0.22 0.54 -0.63 0.00 0.00 0.00 175.10 175.60 2d3o s ILE 12 N -0.57 -0.88 0.00 2.22 1.01 -1.26 -5.02 121.20 116.70 2d3o s ILE 12 Ca 0.05 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.58 2d3o s ILE 12 Cb -0.07 -0.83 0.00 0.00 0.01 0.00 0.00 42.46 41.57 2d3o s ILE 12 CO 0.00 -0.10 0.00 -1.20 0.00 0.00 0.00 174.94 173.65 2d3o n SER 13 N 5.20 0.00 0.00 3.58 7.64 -1.26 -5.06 113.62 123.72 2d3o n SER 13 Ca 0.05 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.93 2d3o n SER 13 Cb 0.53 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.73 2d3o n SER 13 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2d3o n GLU 14 N 0.00 2.13 0.11 1.43 0.28 -1.26 -4.67 120.64 118.66 2d3o n GLU 14 Ca 0.00 0.00 -0.17 0.00 -0.16 0.00 0.00 57.16 56.83 2d3o n GLU 14 Cb 0.00 -0.87 -0.14 0.00 1.43 0.00 0.00 31.44 31.87 2d3o n GLU 14 CO 0.00 0.00 0.00 0.87 -0.16 0.00 0.00 177.13 177.84 2d3o h LYS 15 N 0.00 0.33 0.00 3.44 1.79 -1.99 -1.93 116.57 118.21 2d3o h LYS 15 Ca 0.00 -0.54 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 2d3o h LYS 15 Cb 0.73 0.20 0.00 0.00 -1.58 0.00 0.00 32.23 31.58 2d3o h LYS 15 CO 0.00 1.25 0.00 0.00 -1.08 0.00 0.00 179.45 179.62 2d3o n ALA 16 N -2.56 1.78 -0.11 3.86 0.00 -1.26 -2.63 120.51 119.58 2d3o n ALA 16 Ca -0.10 -0.06 -0.19 0.00 0.00 0.00 0.00 53.44 53.09 2d3o n ALA 16 Cb 1.03 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 19.13 2d3o n ALA 16 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 2d3o n TYR 17 N -1.43 0.00 0.31 0.00 -0.00 -1.18 -3.70 117.16 111.16 2d3o n TYR 17 Ca 0.05 0.00 0.17 0.00 -0.00 0.00 0.00 57.90 58.13 2d3o n TYR 17 Cb 0.16 -0.83 1.01 0.00 -0.00 0.00 0.00 39.34 39.68 2d3o n TYR 17 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.86 177.52 2d3o h SER 18 N -0.32 0.00 0.27 2.98 4.64 -1.27 -0.26 113.55 119.59 2d3o h SER 18 Ca -0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.79 2d3o h SER 18 Cb 1.66 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.75 2d3o h SER 18 CO -0.19 0.00 -1.43 0.00 -0.87 0.00 0.00 176.83 174.35 2d3o n ALA 19 N -2.24 3.21 0.56 5.18 0.00 -1.08 -4.02 120.51 122.12 2d3o n ALA 19 Ca -0.03 -0.45 0.12 0.00 0.00 0.00 0.00 53.44 53.07 2d3o n ALA 19 Cb 0.09 -0.87 0.45 0.00 0.00 0.00 0.00 19.45 19.12 2d3o n ALA 19 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 2d3o n MET 20 N -2.13 0.15 0.27 0.00 0.00 -0.12 -2.75 117.12 112.53 2d3o n MET 20 Ca -0.01 0.28 0.16 0.00 0.00 0.00 0.00 57.70 58.13 2d3o n MET 20 Cb 0.49 -1.73 0.60 0.00 0.00 0.00 0.00 33.22 32.58 2d3o n MET 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 2d3o h GLU 21 N 0.00 0.00 0.00 2.12 4.39 -1.66 -3.01 114.58 116.41 2d3o h GLU 21 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2d3o h GLU 21 Cb 0.46 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.11 2d3o h GLU 21 CO 0.00 0.02 -1.18 2.89 -1.16 0.00 0.00 179.01 179.58 2d3o n ARG 22 N -3.12 1.21 0.00 2.33 1.85 -1.11 -5.00 116.66 112.82 2d3o n ARG 22 Ca 0.01 -0.06 0.00 0.00 -1.00 0.00 0.00 57.85 56.79 2d3o n ARG 22 Cb 0.35 -1.31 0.00 0.00 -1.05 0.00 0.00 32.46 30.45 2d3o n ARG 22 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 2d3o n GLY 23 N 1.46 0.61 2.66 2.89 0.00 -1.14 -4.81 105.19 106.87 2d3o n GLY 23 Ca 0.00 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 2d3o n GLY 23 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2d3o s VAL 24 N -0.12 1.07 0.53 1.61 1.01 -1.14 -3.21 120.40 120.15 2d3o s VAL 24 Ca 0.00 -2.22 -0.03 0.00 0.00 0.00 0.00 61.98 59.73 2d3o s VAL 24 Cb 0.00 -1.76 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2d3o s VAL 24 CO 0.00 -0.89 0.79 -0.31 0.00 0.00 0.00 175.10 174.70 2d3o s TYR 25 N 0.67 3.21 -0.30 5.22 2.02 -1.21 -3.99 117.35 122.97 2d3o s TYR 25 Ca 0.17 0.42 -0.05 0.00 -0.37 0.00 0.00 57.07 57.24 2d3o s TYR 25 Cb -0.23 -2.56 0.17 0.00 -0.40 0.00 0.00 41.96 38.94 2d3o s TYR 25 CO -0.03 -0.63 0.64 -1.54 -1.57 0.00 0.00 175.55 172.42 2d3o s SER 26 N -4.28 -1.26 -0.10 2.29 1.04 -1.26 -2.02 113.70 108.12 2d3o s SER 26 Ca 0.52 1.14 0.02 0.00 0.48 0.00 0.00 55.95 58.10 2d3o s SER 26 Cb -0.10 2.20 0.02 0.00 0.10 0.00 0.00 66.02 68.23 2d3o s SER 26 CO 0.42 -0.24 -0.13 -0.36 0.98 0.00 0.00 173.24 173.90 2d3o s PHE 27 N 2.87 1.79 1.00 5.02 2.99 0.98 -4.17 117.98 128.45 2d3o s PHE 27 Ca 0.10 -0.81 -0.11 0.00 0.00 0.00 0.00 56.93 56.10 2d3o s PHE 27 Cb -0.14 -1.32 0.19 0.00 0.00 0.00 0.00 43.02 41.76 2d3o s PHE 27 CO -0.20 -0.44 1.09 -1.58 -0.00 0.00 0.00 175.22 174.10 2d3o s TRP 28 N 1.01 1.64 0.33 0.36 0.52 -0.99 -2.21 118.94 119.60 2d3o s TRP 28 Ca -0.07 1.50 0.05 0.00 0.02 0.00 0.00 56.10 57.60 2d3o s TRP 28 Cb -0.15 -3.22 -0.03 0.00 -1.15 0.00 0.00 33.47 28.92 2d3o s TRP 28 CO -0.01 -3.12 0.21 0.14 0.02 0.00 0.00 176.95 174.19 2d3o s VAL 29 N -2.62 0.17 0.77 4.03 -7.23 0.53 -3.04 120.40 113.01 2d3o s VAL 29 Ca 0.67 -2.00 -0.14 0.00 -1.81 0.00 0.00 61.98 58.70 2d3o s VAL 29 Cb -0.23 -2.47 0.06 0.00 0.56 0.00 0.00 36.38 34.30 2d3o s VAL 29 CO 0.60 0.00 1.20 -0.94 -0.31 0.00 0.00 175.10 175.65 2d3o s SER 30 N -3.39 3.92 0.17 4.85 1.04 -0.28 -3.39 113.70 116.61 2d3o s SER 30 Ca 0.36 2.34 0.08 0.00 0.48 0.00 0.00 55.95 59.22 2d3o s SER 30 Cb 0.03 -2.59 0.46 0.00 0.10 0.00 0.00 66.02 64.03 2d3o s SER 30 CO 0.22 -2.45 1.17 -2.65 0.98 0.00 0.00 173.24 170.51 2d3o n PRO 31 N -3.03 0.06 -3.68 4.02 -0.02 -1.26 -4.17 135.00 126.92 2d3o n PRO 31 Ca 0.13 0.49 -0.24 0.00 -2.02 0.00 0.00 63.50 61.86 2d3o n PRO 31 Cb 0.50 -1.85 -0.17 0.00 -0.02 0.00 0.00 33.50 31.97 2d3o n PRO 31 CO 0.00 0.00 0.00 0.15 1.98 0.00 0.00 175.50 177.63 2d3o s LYS 32 N -3.09 0.24 -0.16 -0.52 1.02 -1.26 -4.81 119.74 111.16 2d3o s LYS 32 Ca -0.01 0.00 -0.30 0.00 0.02 0.00 0.00 55.97 55.68 2d3o s LYS 32 Cb 0.02 -1.40 0.13 0.00 -0.52 0.00 0.00 37.83 36.07 2d3o s LYS 32 CO 0.08 -0.51 1.04 0.00 -0.92 0.00 0.00 175.35 175.03 2d3o s ALA 33 N 2.06 -1.95 0.00 5.17 0.00 -1.26 -5.05 121.76 120.73 2d3o s ALA 33 Ca 0.03 1.58 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2d3o s ALA 33 Cb -0.15 -0.70 0.00 0.00 0.00 0.00 0.00 23.12 22.27 2d3o s ALA 33 CO -0.07 -0.34 0.00 0.25 0.00 0.00 0.00 175.76 175.61 2d3o n THR 34 N 0.61 0.00 -0.04 0.00 -2.24 -1.26 -4.86 114.28 106.49 2d3o n THR 34 Ca -0.09 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.70 2d3o n THR 34 Cb 0.58 -0.99 -0.11 0.00 -2.10 0.00 0.00 70.33 67.71 2d3o n THR 34 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2d3o n LYS 35 N -0.47 1.10 0.09 -0.78 4.81 -1.26 -4.08 118.16 117.57 2d3o n LYS 35 Ca 0.00 -0.07 -0.18 0.00 -0.87 0.00 0.00 58.31 57.19 2d3o n LYS 35 Cb 0.00 -1.35 -0.14 0.00 0.02 0.00 0.00 35.03 33.55 2d3o n LYS 35 CO 0.00 0.00 0.00 1.15 1.17 0.00 0.00 177.40 179.72 2d3o h THR 36 N 0.00 1.30 -0.03 3.15 2.02 -1.97 -2.81 112.91 114.57 2d3o h THR 36 Ca -0.19 -2.88 -0.22 0.00 0.77 0.00 0.00 66.41 63.89 2d3o h THR 36 Cb 1.27 2.87 0.00 0.00 -1.74 0.00 0.00 68.15 70.55 2d3o h THR 36 CO 0.01 0.85 -0.90 -0.33 0.37 0.00 0.00 175.52 175.52 2d3o h GLU 37 N 0.08 0.46 0.00 6.66 5.08 -1.99 -3.25 114.58 121.62 2d3o h GLU 37 Ca -0.21 -0.46 -0.17 0.00 -1.00 0.00 0.00 59.36 57.52 2d3o h GLU 37 Cb 2.02 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 31.37 2d3o h GLU 37 CO 0.19 1.11 -0.82 0.97 -1.00 0.00 0.00 179.01 179.47 2d3o h ILE 38 N 0.28 1.59 -0.86 3.13 2.10 -1.71 -3.24 117.51 118.80 2d3o h ILE 38 Ca -0.07 -2.80 0.10 0.00 1.08 0.00 0.00 64.86 63.17 2d3o h ILE 38 Cb 1.52 2.51 -0.06 0.00 -1.09 0.00 0.00 36.82 39.70 2d3o h ILE 38 CO 0.16 0.80 0.56 0.50 -1.08 0.00 0.00 178.15 179.09 2d3o h LYS 39 N 0.00 0.80 -0.63 2.19 3.64 -1.52 0.64 116.57 121.69 2d3o h LYS 39 Ca -0.01 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2d3o h LYS 39 Cb 1.45 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2d3o h LYS 39 CO 0.11 0.53 0.00 -0.40 -2.27 0.00 0.00 179.45 177.42 2d3o n ASP 40 N -4.52 4.03 -0.11 4.20 5.68 -1.22 -3.78 116.55 120.82 2d3o n ASP 40 Ca 0.15 -2.38 0.02 0.00 -0.50 0.00 0.00 54.79 52.08 2d3o n ASP 40 Cb 0.32 -0.53 0.00 0.00 -1.14 0.00 0.00 41.12 39.78 2d3o n ASP 40 CO 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 177.20 175.87 2d3o n ALA 41 N 0.88 2.52 -0.03 2.12 0.00 0.19 -4.22 120.51 121.97 2d3o n ALA 41 Ca 0.21 -0.37 -0.02 0.00 0.00 0.00 0.00 53.44 53.27 2d3o n ALA 41 Cb 0.76 -0.16 -0.07 0.00 0.00 0.00 0.00 19.45 19.99 2d3o n ALA 41 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.50 179.01 2d3o n ILE 42 N -0.30 0.43 0.10 0.00 0.13 -1.02 -4.09 119.36 114.61 2d3o n ILE 42 Ca 0.02 -0.31 -0.23 0.00 -1.10 0.00 0.00 62.75 61.13 2d3o n ILE 42 Cb 0.10 -0.53 -0.15 0.00 -0.84 0.00 0.00 39.64 38.22 2d3o n ILE 42 CO 0.00 0.00 0.00 1.56 2.80 0.00 0.00 176.55 180.91 2d3o h GLN 43 N 0.00 0.43 -0.01 9.51 4.20 -1.74 -3.23 115.11 124.28 2d3o h GLN 43 Ca -0.17 -0.74 0.00 0.00 0.06 0.00 0.00 58.65 57.80 2d3o h GLN 43 Cb 1.24 0.28 0.00 0.00 0.30 0.00 0.00 27.48 29.30 2d3o h GLN 43 CO 0.01 1.34 -0.03 1.04 -0.67 0.00 0.00 178.83 180.52 2d3o n GLN 44 N -3.62 1.34 -0.01 1.46 1.13 -1.26 -1.11 117.38 115.31 2d3o n GLN 44 Ca -0.21 -0.62 -0.20 0.00 -1.94 0.00 0.00 57.00 54.04 2d3o n GLN 44 Cb 1.08 -1.49 -0.14 0.00 0.11 0.00 0.00 30.24 29.81 2d3o n GLN 44 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2d3o n ALA 45 N -0.29 0.99 -0.08 -1.58 0.00 -1.24 -4.68 120.51 113.63 2d3o n ALA 45 Ca 0.19 -0.64 -0.15 0.00 0.00 0.00 0.00 53.44 52.83 2d3o n ALA 45 Cb 0.29 -0.66 -0.06 0.00 0.00 0.00 0.00 19.45 19.01 2d3o n ALA 45 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 2d3o n PHE 46 N -3.41 0.00 0.00 0.00 3.01 -1.22 -5.05 117.46 110.79 2d3o n PHE 46 Ca -0.31 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.15 2d3o n PHE 46 Cb 1.05 -0.58 0.00 0.00 -0.01 0.00 0.00 39.48 39.94 2d3o n PHE 46 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2d3o n GLY 47 N 2.21 0.61 3.62 1.37 0.00 -0.27 -5.09 105.19 107.64 2d3o n GLY 47 Ca -0.30 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.09 2d3o n GLY 47 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d3o s VAL 48 N -0.19 0.00 0.35 1.61 0.11 -1.03 -5.06 120.40 116.19 2d3o s VAL 48 Ca 0.00 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 58.78 2d3o s VAL 48 Cb 0.00 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.76 2d3o s VAL 48 CO 0.00 0.00 1.10 0.00 -3.33 0.00 0.00 175.10 172.87 2d3o s ARG 49 N -0.10 4.35 0.11 1.54 1.70 -1.26 -4.25 118.95 121.04 2d3o s ARG 49 Ca 0.00 1.70 0.09 0.00 -0.47 0.00 0.00 55.73 57.06 2d3o s ARG 49 Cb -0.04 -2.85 -0.04 0.00 -0.57 0.00 0.00 34.95 31.46 2d3o s ARG 49 CO -0.02 -0.02 -0.22 0.08 -1.08 0.00 0.00 175.30 174.04 2d3o s VAL 50 N -1.39 1.81 -0.11 4.99 1.01 -1.26 -4.68 120.40 120.76 2d3o s VAL 50 Ca 0.52 -1.58 -0.12 0.00 0.00 0.00 0.00 61.98 60.80 2d3o s VAL 50 Cb -0.28 -1.63 -0.05 0.00 0.00 0.00 0.00 36.38 34.42 2d3o s VAL 50 CO 0.36 -0.04 -0.24 -0.38 0.00 0.00 0.00 175.10 174.80 2d3o n ILE 51 N 1.05 1.35 -3.80 2.22 5.41 -1.07 -5.02 119.36 119.50 2d3o n ILE 51 Ca -0.19 0.14 -0.33 0.00 1.00 0.00 0.00 62.75 63.36 2d3o n ILE 51 Cb 0.53 -2.05 -0.05 0.00 -0.71 0.00 0.00 39.64 37.37 2d3o n ILE 51 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2d3o s GLY 52 N -4.75 2.23 -0.29 7.39 0.00 -1.26 -4.99 107.32 105.64 2d3o s GLY 52 Ca -0.21 -0.65 -0.16 0.00 0.00 0.00 0.00 44.72 43.70 2d3o s GLY 52 CO 0.30 -0.52 0.99 -1.50 0.00 0.00 0.00 173.10 172.38 2d3o s ILE 53 N -1.39 -0.09 0.14 0.90 -1.16 -1.26 -3.09 121.20 115.25 2d3o s ILE 53 Ca 0.31 0.00 0.06 0.00 -0.51 0.00 0.00 60.65 60.51 2d3o s ILE 53 Cb -0.13 -1.00 -0.04 0.00 0.61 0.00 0.00 42.46 41.90 2d3o s ILE 53 CO 0.20 0.00 -0.14 -0.55 -2.81 0.00 0.00 174.94 171.63 2d3o s SER 54 N 1.52 2.11 -0.26 4.50 0.15 -1.26 -4.97 113.70 115.49 2d3o s SER 54 Ca -0.08 -0.86 -0.13 0.00 0.70 0.00 0.00 55.95 55.59 2d3o s SER 54 Cb -0.04 -0.08 0.09 0.00 -1.71 0.00 0.00 66.02 64.28 2d3o s SER 54 CO -0.15 -0.15 0.61 0.28 1.20 0.00 0.00 173.24 175.03 2d3o s THR 55 N -2.33 -0.33 0.12 6.45 -1.32 -1.25 -3.55 115.64 113.42 2d3o s THR 55 Ca 0.12 0.03 -0.23 0.00 -1.21 0.00 0.00 61.69 60.40 2d3o s THR 55 Cb -0.04 -0.91 0.06 0.00 -1.51 0.00 0.00 72.50 70.10 2d3o s THR 55 CO 0.04 0.01 0.57 0.00 -2.21 0.00 0.00 174.62 173.03 2d3o s MET 56 N 2.03 1.20 0.27 7.08 0.23 -1.26 -4.94 119.30 123.92 2d3o s MET 56 Ca -0.08 -0.40 -0.29 0.00 -1.03 0.00 0.00 55.69 53.89 2d3o s MET 56 Cb -0.08 0.55 -0.14 0.00 -1.53 0.00 0.00 34.83 33.63 2d3o s MET 56 CO -0.18 -0.50 1.15 0.27 -2.03 0.00 0.00 175.02 173.73 2d3o n ASN 57 N -0.14 1.81 -3.47 -1.18 0.23 -1.26 -3.91 115.26 107.34 2d3o n ASN 57 Ca -0.17 1.17 -0.29 0.00 -0.53 0.00 0.00 54.58 54.76 2d3o n ASN 57 Cb 0.64 -1.33 -0.12 0.00 -2.08 0.00 0.00 39.78 36.88 2d3o n ASN 57 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2d3o s VAL 58 N -0.76 0.18 1.04 3.53 1.01 -1.26 -4.87 120.40 119.27 2d3o s VAL 58 Ca 0.62 -1.73 -0.17 0.00 0.00 0.00 0.00 61.98 60.70 2d3o s VAL 58 Cb -0.69 -1.14 0.22 0.00 0.00 0.00 0.00 36.38 34.77 2d3o s VAL 58 CO 0.57 -0.99 1.22 -2.16 0.00 0.00 0.00 175.10 173.75 2d3o s PRO 59 N 1.05 0.03 -0.34 2.72 0.04 -1.25 -0.74 135.00 136.52 2d3o s PRO 59 Ca 0.18 -0.19 -0.08 0.00 0.04 0.00 0.00 61.00 60.95 2d3o s PRO 59 Cb -0.23 -1.75 0.21 0.00 0.04 0.00 0.00 34.50 32.76 2d3o s PRO 59 CO 0.01 -2.85 1.10 0.20 0.04 0.00 0.00 177.00 175.49 2d3o s GLY 60 N -4.42 -1.87 0.05 0.56 0.00 -0.82 -4.88 107.32 95.93 2d3o s GLY 60 Ca 0.71 0.74 -0.31 0.00 0.00 0.00 0.00 44.72 45.87 2d3o s GLY 60 CO 0.54 4.33 1.58 1.25 0.00 0.00 0.00 173.10 180.80 2d3o s LYS 61 N 1.16 4.22 -0.15 2.90 2.20 -1.26 -4.16 119.74 124.66 2d3o s LYS 61 Ca 0.22 2.23 -0.20 0.00 -0.36 0.00 0.00 55.97 57.85 2d3o s LYS 61 Cb 0.11 -3.60 0.05 0.00 -1.51 0.00 0.00 37.83 32.89 2d3o s LYS 61 CO -0.12 -0.69 0.53 0.50 -0.36 0.00 0.00 175.35 175.21 2d3o s ARG 62 N 2.59 0.70 0.00 4.03 3.00 -1.25 -5.05 118.95 122.97 2d3o s ARG 62 Ca 0.71 0.54 0.00 0.00 -1.00 0.00 0.00 55.73 55.98 2d3o s ARG 62 Cb -0.37 0.34 0.00 0.00 0.00 0.00 0.00 34.95 34.91 2d3o s ARG 62 CO 0.31 -0.13 0.00 0.36 0.00 0.00 0.00 175.30 175.84 2d3o n LYS 63 N 2.28 0.00 0.00 5.12 2.85 -1.26 -4.51 118.16 122.63 2d3o n LYS 63 Ca -0.16 0.00 0.00 0.00 -1.05 0.00 0.00 58.31 57.10 2d3o n LYS 63 Cb 0.56 0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.94 2d3o n LYS 63 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 2d3o n ARG 64 N 0.00 0.00 -4.09 -1.58 1.74 -1.26 -5.14 116.66 106.33 2d3o n ARG 64 Ca 0.00 0.00 -0.13 0.00 -0.77 0.00 0.00 57.85 56.95 2d3o n ARG 64 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 32.46 31.33 2d3o n ARG 64 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 2d3o s VAL 65 N 0.00 0.60 0.00 1.55 1.01 -1.26 -5.14 120.40 117.17 2d3o s VAL 65 Ca 0.00 -1.25 0.00 0.00 0.00 0.00 0.00 61.98 60.73 2d3o s VAL 65 Cb 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2d3o s VAL 65 CO 0.00 -0.46 0.00 0.61 0.00 0.00 0.00 175.10 175.25 2d3o n GLY 66 N 1.18 3.72 1.62 4.51 0.00 -1.26 -4.89 105.19 110.08 2d3o n GLY 66 Ca -0.21 -1.76 -0.02 0.00 0.00 0.00 0.00 46.02 44.04 2d3o n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2d3o n ARG 67 N -1.53 3.36 -1.29 1.61 1.74 -1.26 -4.57 116.66 114.72 2d3o n ARG 67 Ca 0.00 -3.06 -0.33 0.00 -0.77 0.00 0.00 57.85 53.70 2d3o n ARG 67 Cb 0.00 -2.08 0.09 0.00 -1.02 0.00 0.00 32.46 29.45 2d3o n ARG 67 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 2d3o n PHE 68 N -0.33 3.11 -2.95 -1.55 3.72 -1.26 -5.03 117.46 113.16 2d3o n PHE 68 Ca 0.35 -2.83 0.00 0.00 -0.05 0.00 0.00 57.45 54.92 2d3o n PHE 68 Cb 1.22 -1.37 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 2d3o n PHE 68 CO 0.00 0.00 0.00 -0.89 -0.05 0.00 0.00 176.76 175.82 2d3o n ILE 69 N -0.87 0.00 -3.68 4.37 5.41 -1.26 -4.83 119.36 118.50 2d3o n ILE 69 Ca 0.61 0.00 -0.14 0.00 1.00 0.00 0.00 62.75 64.22 2d3o n ILE 69 Cb 0.78 0.00 -0.08 0.00 -0.71 0.00 0.00 39.64 39.62 2d3o n ILE 69 CO 0.00 0.00 0.00 -0.83 0.00 0.00 0.00 176.55 175.72 2d3o s GLY 70 N -0.82 -0.41 0.27 7.39 0.00 -1.26 -4.96 107.32 107.53 2d3o s GLY 70 Ca 0.00 1.49 -0.12 0.00 0.00 0.00 0.00 44.72 46.09 2d3o s GLY 70 CO 0.00 1.27 0.63 1.62 0.00 0.00 0.00 173.10 176.62 2d3o s GLN 71 N 0.15 3.89 -0.50 2.90 2.00 -1.26 -4.98 119.66 121.85 2d3o s GLN 71 Ca -0.01 0.44 -0.02 0.00 -2.00 0.00 0.00 55.36 53.77 2d3o s GLN 71 Cb -0.04 -2.56 0.13 0.00 0.80 0.00 0.00 33.01 31.34 2d3o s GLN 71 CO 0.01 0.25 0.30 1.03 -0.50 0.00 0.00 175.29 176.39 2d3o s ARG 72 N -2.87 2.21 -0.20 1.67 0.52 -1.26 -3.84 118.95 115.17 2d3o s ARG 72 Ca 0.50 -2.18 -0.26 0.00 -0.52 0.00 0.00 55.73 53.27 2d3o s ARG 72 Cb -0.11 -3.61 -0.01 0.00 0.52 0.00 0.00 34.95 31.75 2d3o s ARG 72 CO 0.20 -1.11 0.88 -0.80 0.02 0.00 0.00 175.30 174.48 2d3o s ASN 73 N 1.14 6.95 -0.28 0.23 0.01 -1.26 -4.79 114.94 116.95 2d3o s ASN 73 Ca 0.13 1.18 -0.07 0.00 -0.71 0.00 0.00 52.86 53.39 2d3o s ASN 73 Cb -0.22 -2.47 -0.00 0.00 0.41 0.00 0.00 41.25 38.97 2d3o s ASN 73 CO -0.04 -0.49 0.07 -1.81 -1.51 0.00 0.00 177.10 173.32 2d3o s ASP 74 N 1.23 5.05 -0.28 -1.22 1.11 -1.26 -1.95 116.67 119.35 2d3o s ASP 74 Ca 0.39 -0.54 -0.02 0.00 0.18 0.00 0.00 52.55 52.56 2d3o s ASP 74 Cb -0.16 -1.88 0.09 0.00 1.07 0.00 0.00 42.92 42.04 2d3o s ASP 74 CO 0.10 -0.13 0.09 -0.13 1.18 0.00 0.00 175.17 176.28 2d3o s ARG 75 N 1.53 0.57 0.70 8.23 0.52 0.08 -4.37 118.95 126.20 2d3o s ARG 75 Ca 0.04 -0.80 -0.16 0.00 -0.52 0.00 0.00 55.73 54.29 2d3o s ARG 75 Cb -0.16 -1.80 -0.01 0.00 0.52 0.00 0.00 34.95 33.50 2d3o s ARG 75 CO 0.02 -0.92 0.93 1.63 0.02 0.00 0.00 175.30 176.98 2d3o n LYS 76 N 4.99 0.56 -4.71 3.54 5.02 -1.22 -4.16 118.16 122.19 2d3o n LYS 76 Ca -0.04 0.24 -0.23 0.00 -2.02 0.00 0.00 58.31 56.26 2d3o n LYS 76 Cb 0.43 -2.18 -0.15 0.00 -0.02 0.00 0.00 35.03 33.11 2d3o n LYS 76 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2d3o s LYS 77 N -3.18 1.27 -0.12 1.97 1.02 -1.25 -0.34 119.74 119.10 2d3o s LYS 77 Ca 0.73 -0.54 0.02 0.00 0.02 0.00 0.00 55.97 56.21 2d3o s LYS 77 Cb -0.36 -1.21 0.01 0.00 -0.52 0.00 0.00 37.83 35.75 2d3o s LYS 77 CO 0.50 0.31 -0.19 0.00 -0.92 0.00 0.00 175.35 175.05 2d3o s ALA 78 N -0.30 2.01 -0.58 5.17 0.00 -0.94 -3.95 121.76 123.16 2d3o s ALA 78 Ca 0.05 -0.93 -0.02 0.00 0.00 0.00 0.00 51.96 51.06 2d3o s ALA 78 Cb -0.06 -0.91 0.15 0.00 0.00 0.00 0.00 23.12 22.30 2d3o s ALA 78 CO -0.00 -0.02 0.39 0.42 0.00 0.00 0.00 175.76 176.55 2d3o s ILE 79 N 0.84 3.53 1.02 0.00 1.01 -1.26 -0.02 121.20 126.33 2d3o s ILE 79 Ca -0.08 -2.87 -0.16 0.00 0.00 0.00 0.00 60.65 57.54 2d3o s ILE 79 Cb -0.15 -3.33 0.21 0.00 0.01 0.00 0.00 42.46 39.19 2d3o s ILE 79 CO -0.01 -0.84 1.20 0.68 0.00 0.00 0.00 174.94 175.97 2d3o s VAL 80 N 0.09 1.87 -0.17 2.92 -7.23 -0.86 -4.16 120.40 112.86 2d3o s VAL 80 Ca 0.16 0.00 -0.24 0.00 -1.81 0.00 0.00 61.98 60.09 2d3o s VAL 80 Cb -0.21 -2.77 0.06 0.00 0.56 0.00 0.00 36.38 34.02 2d3o s VAL 80 CO -0.03 0.00 0.62 -0.60 -0.31 0.00 0.00 175.10 174.78 2d3o s ARG 81 N -5.56 0.82 0.19 4.82 3.52 -1.18 -3.28 118.95 118.28 2d3o s ARG 81 Ca 0.70 0.64 0.06 0.00 -0.13 0.00 0.00 55.73 57.00 2d3o s ARG 81 Cb -0.09 0.39 -0.04 0.00 -1.56 0.00 0.00 34.95 33.66 2d3o s ARG 81 CO 0.54 -0.16 0.12 -0.51 -0.81 0.00 0.00 175.30 174.48 2d3o s LEU 82 N -0.18 3.68 -0.10 -0.88 1.43 -1.20 -2.61 118.68 118.82 2d3o s LEU 82 Ca -0.04 -0.24 -0.06 0.00 -1.03 0.00 0.00 54.13 52.76 2d3o s LEU 82 Cb -0.03 -2.28 -0.02 0.00 0.03 0.00 0.00 46.19 43.89 2d3o s LEU 82 CO 0.04 0.04 -0.13 0.00 0.23 0.00 0.00 176.35 176.53 2d3o n ALA 83 N -0.53 0.32 -0.02 4.21 0.00 -1.26 -4.75 120.51 118.47 2d3o n ALA 83 Ca -0.08 -0.33 0.02 0.00 0.00 0.00 0.00 53.44 53.05 2d3o n ALA 83 Cb 0.56 0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.92 2d3o n ALA 83 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2d3o n GLU 84 N -3.91 0.94 -2.02 0.00 4.07 -1.26 -4.95 120.64 113.52 2d3o n GLU 84 Ca -0.05 -0.08 -0.43 0.00 -0.06 0.00 0.00 57.16 56.54 2d3o n GLU 84 Cb 0.19 -1.30 -0.03 0.00 -0.06 0.00 0.00 31.44 30.24 2d3o n GLU 84 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2d3o s GLY 85 N -3.80 1.06 -0.06 8.31 0.00 -1.26 -4.84 107.32 106.72 2d3o s GLY 85 Ca -0.05 0.47 0.13 0.00 0.00 0.00 0.00 44.72 45.27 2d3o s GLY 85 CO 0.52 3.16 0.60 -1.06 0.00 0.00 0.00 173.10 176.32 2d3o n GLN 86 N 7.96 0.64 -4.03 2.90 6.02 -1.26 -4.70 117.38 124.90 2d3o n GLN 86 Ca 0.21 0.27 -0.08 0.00 -0.01 0.00 0.00 57.00 57.39 2d3o n GLN 86 Cb 0.45 -1.77 -0.10 0.00 1.02 0.00 0.00 30.24 29.85 2d3o n GLN 86 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.06 174.51 2d3o s SER 87 N -6.06 0.38 -0.05 1.08 1.04 -1.26 -4.57 113.70 104.27 2d3o s SER 87 Ca -0.06 -0.82 -0.02 0.00 0.48 0.00 0.00 55.95 55.53 2d3o s SER 87 Cb 0.08 0.19 -0.02 0.00 0.10 0.00 0.00 66.02 66.37 2d3o s SER 87 CO 0.82 -0.54 -0.06 2.30 0.98 0.00 0.00 173.24 176.75 2d3o n ILE 88 N 0.48 0.26 0.00 -1.02 -5.35 -1.26 -5.07 119.36 107.40 2d3o n ILE 88 Ca -0.17 -0.07 0.00 0.00 -0.27 0.00 0.00 62.75 62.24 2d3o n ILE 88 Cb 0.60 -1.43 0.00 0.00 -1.74 0.00 0.00 39.64 37.07 2d3o n ILE 88 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2d3o n GLU 89 N -3.13 0.00 0.00 6.28 1.02 -1.26 -5.04 120.64 118.51 2d3o n GLU 89 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 2d3o n GLU 89 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 2d3o n GLU 89 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2d3o n ALA 90 N -1.90 0.00 0.41 0.62 0.00 -1.26 -4.88 120.51 113.51 2d3o n ALA 90 Ca 0.00 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.56 2d3o n ALA 90 Cb 0.00 0.00 0.48 0.00 0.00 0.00 0.00 19.45 19.93 2d3o n ALA 90 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2d3o n LEU 91 N 0.00 0.64 0.03 0.00 7.99 -1.26 -2.27 117.00 122.13 2d3o n LEU 91 Ca 0.00 0.65 -0.04 0.00 -0.01 0.00 0.00 56.01 56.61 2d3o n LEU 91 Cb 0.02 -0.56 -0.10 0.00 -0.11 0.00 0.00 43.42 42.67 2d3o n LEU 91 CO 0.00 -0.53 -0.17 0.00 -1.51 0.00 0.00 177.39 175.18 2d3o h ALA 92 N 2.29 0.63 -0.31 -1.18 0.00 -1.93 -3.29 119.26 115.47 2d3o h ALA 92 Ca 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 54.91 53.88 2d3o h ALA 92 Cb 0.37 0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2d3o h ALA 92 CO 0.00 1.20 0.00 0.41 0.00 0.00 0.00 179.25 180.86 2d3o n GLY 93 N 1.42 0.72 0.00 0.00 0.00 -0.96 -4.91 105.19 101.45 2d3o n GLY 93 Ca -0.08 -0.35 0.11 0.00 0.00 0.00 0.00 46.02 45.69 2d3o n GLY 93 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26